N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide

C16H15FN2O3 — CID 50880326

IUPACN-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-3-11-9-12(19(21)22)8-10(2)15(11)18-16(20)13-6-4-5-7-14(13)17/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyXJWNADGCWIENHY-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.86
Rot. Bonds4

About N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide

N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide (PubChem CID 50880326) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
PubChem CID50880326
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-3-11-9-12(19(21)22)8-10(2)15(11)18-16(20)13-6-4-5-7-14(13)17/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyXJWNADGCWIENHY-UHFFFAOYSA-N
XLogP3.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 50880684
4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
CID 50880734
4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880239
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-chloro-N-(2-ethyl-6-methylphenyl)-3,5-dinitrobenzamide
CID 4633435
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
propyl 2-[(2-fluorobenzoyl)amino]-4-nitrobenzoate
CID 44577041
2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
CID 103297109

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide?
The IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide (CID 50880326) is N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide is CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide?
The InChIKey is XJWNADGCWIENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-3-11-9-12(19(21)22)8-10(2)15(11)18-16(20)13-6-4-5-7-14(13)17/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide?
N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide has a molecular weight of 302.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide is sourced from PubChem (CID 50880326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).